N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide

C20H23ClN2O2 — CID 7601369

IUPACN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C20H23ClN2O2/c1-4-14-5-7-16(8-6-14)19(24)22-23-20(25)18(13(2)3)15-9-11-17(21)12-10-15/h5-13,18H,4H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyPWUDRASVWRIDLR-GOSISDBHSA-N
MW358.87 g/mol
LogP4.10
Rot. Bonds5

About N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide (PubChem CID 7601369) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
PubChem CID7601369
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C20H23ClN2O2/c1-4-14-5-7-16(8-6-14)19(24)22-23-20(25)18(13(2)3)15-9-11-17(21)12-10-15/h5-13,18H,4H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyPWUDRASVWRIDLR-GOSISDBHSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
CID 7600183
N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
CID 7600185
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
CID 7809092
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55942890
1-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-pentylthiourea
CID 9187630
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide (CID 7601369) is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1.
What is the InChIKey of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide?
The InChIKey is PWUDRASVWRIDLR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-14-5-7-16(8-6-14)19(24)22-23-20(25)18(13(2)3)15-9-11-17(21)12-10-15/h5-13,18H,4H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide?
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide has a molecular weight of 358.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 7601369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).